Information card for entry 1555562

Structure parameters

• Formula: C23 H30 F2 N2 O2
• Calculated formula: C23 H30 F2 N2 O2
• SMILES: FC(F)(/C=C(/C(=O)NC1CCCCC1)c1ccccc1)C(=O)NC1CCCCC1
• Title of publication: Palladium-Catalyzed Regioselective Difluoroalkylation and Carbonylation of Alkynes.
• Authors of publication: Wang, Qiang; He, Yu-Tao; Zhao, Jia-Hui; Qiu, Yi-Feng; Zheng, Lan; Hu, Jing-Yuan; Yang, Yu-Chen; Liu, Xue-Yuan; Liang, Yong-Min
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 11
• Pages of publication: 2664 - 2667
• a: 13.5393 ± 0.0008 Å
• b: 9.9243 ± 0.0004 Å
• c: 17.0947 ± 0.001 Å
• α: 90°
• β: 103.566 ± 0.006°
• γ: 90°
• Cell volume: 2232.9 ± 0.2 ų
• Cell temperature: 295.35 ± 0.1 K
• Ambient diffraction temperature: 295.35 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1148
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1678
• Weighted residual factors for all reflections included in the refinement: 0.2101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No